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42339-02-6 | 1H-INDENO[5,6-C]ISOXAZOLE
CAS No: 42339-02-6 Catalog No: AG0072PO MDL No:
Product Description
Catalog Number:
AG0072PO
Chemical Name:
1H-INDENO[5,6-C]ISOXAZOLE
CAS Number:
42339-02-6
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
1H-cyclopenta[f][2,1]benzoxazole
InChI:
InChI=1S/C10H7NO/c1-2-7-4-9-6-12-11-10(9)5-8(7)3-1/h1-6,11H
InChI Key:
USCLZCNSVAMZRL-UHFFFAOYSA-N
SMILES:
c1cc2c(c1)cc1c(c2)[nH]oc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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